@MOLECULE [(1S)-2,2-dimethylcyclobutyl] hexanoate 36 36 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.3817 -0.5711 -0.3401 C.3 1 UNL11111111 -0.4428 2 C 5.1736 0.2063 0.1812 C.3 1 UNL11111111 -0.2485 3 C 3.8645 -0.5081 -0.1814 C.3 1 UNL11111111 -0.2710 4 C 2.6593 0.3172 0.2800 C.3 1 UNL11111111 -0.2549 5 C 1.3500 -0.3833 -0.0915 C.3 1 UNL11111111 -0.3486 6 C 0.1846 0.4983 0.2446 C.2 1 UNL11111111 0.6098 7 O 0.1940 1.5707 0.7889 O.2 1 UNL11111111 -0.5080 8 O -0.9568 -0.1096 -0.1707 O.3 1 UNL11111111 -0.4436 9 C -2.1808 0.5751 0.0124 C.3 1 UNL11111111 0.1011 10 H -2.1058 1.3432 0.7925 H 1 UNL11111111 0.1503 11 C -3.3363 -0.4760 0.1769 C.3 1 UNL11111111 0.0694 12 C -2.8745 -1.9194 0.1478 C.3 1 UNL11111111 -0.4489 13 C -4.2125 -0.1912 1.3832 C.3 1 UNL11111111 -0.4655 14 C -3.9365 0.0245 -1.1795 C.3 1 UNL11111111 -0.3014 15 C -2.7623 1.0197 -1.3528 C.3 1 UNL11111111 -0.3211 16 H 7.3199 -0.0685 -0.0794 H 1 UNL11111111 0.1416 17 H 6.4223 -1.5811 0.0823 H 1 UNL11111111 0.1417 18 H 6.3552 -0.6705 -1.4311 H 1 UNL11111111 0.1421 19 H 5.2469 0.3295 1.2786 H 1 UNL11111111 0.1357 20 H 5.1757 1.2306 -0.2385 H 1 UNL11111111 0.1368 21 H 3.8183 -0.6750 -1.2741 H 1 UNL11111111 0.1373 22 H 3.8428 -1.5125 0.2805 H 1 UNL11111111 0.1365 23 H 2.7016 0.4893 1.3740 H 1 UNL11111111 0.1519 24 H 2.6903 1.3291 -0.1725 H 1 UNL11111111 0.1542 25 H 1.3289 -0.6387 -1.1729 H 1 UNL11111111 0.1770 26 H 1.2546 -1.3542 0.4392 H 1 UNL11111111 0.1763 27 H -2.2785 -2.1636 1.0357 H 1 UNL11111111 0.1510 28 H -3.7234 -2.6107 0.1100 H 1 UNL11111111 0.1438 29 H -2.2398 -2.1228 -0.7252 H 1 UNL11111111 0.1565 30 H -4.5396 0.8548 1.4160 H 1 UNL11111111 0.1492 31 H -5.1142 -0.8153 1.3739 H 1 UNL11111111 0.1512 32 H -3.6800 -0.3979 2.3200 H 1 UNL11111111 0.1526 33 H -3.9959 -0.7440 -1.9527 H 1 UNL11111111 0.1439 34 H -4.9193 0.4912 -1.0925 H 1 UNL11111111 0.1418 35 H -3.0483 2.0719 -1.4058 H 1 UNL11111111 0.1474 36 H -2.1081 0.8008 -2.2021 H 1 UNL11111111 0.1552 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 11 13 1 13 11 14 1 14 14 15 1 15 9 15 1 16 1 16 1 17 1 17 1 18 1 18 1 19 2 19 1 20 2 20 1 21 3 21 1 22 3 22 1 23 4 23 1 24 4 24 1 25 5 25 1 26 5 26 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 15 35 1 36 15 36 1